[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophen-2-yl]methyl benzoate

Systemtic Name: [5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophen-2-yl]methyl benzoate Openeye Name: [5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thienyl]methyl benzoate CAS Name: benzoic acid [5-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-thiophenyl]methyl ester IUPAC Name: [5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophen-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[4-[4-(2-methoxyphenyl)piperazino]butyl]-2-thienyl]methyl ester Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC=C(S3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC=C(S3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3S/c1-31-26-13-6-5-12-25(26)29-19-17-28(18-20-29)16-8-7-11-23-14-15-24(33-23)21-32-27(30)22-9-3-2-4-10-22/h2-6,9-10,12-15H,7-8,11,16-21H2,1H3